碳纤维改性对界面性能影响的模拟与预测

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摘 要 碳纤维与树脂之间的界面性能直接影响到复合材料的力学性能，为了高效筛选出最有效的碳纤维改性方法，本文构建了不同反应基团改性和不同接枝率的碳纤维界面模型，通过分子动力学模拟预测碳纤维与树脂的界面相互作用能。计算结果表明，推电子基团要比吸电子基团更加适合用于改性碳纤维。

关键词 邻苯二甲腈；改性碳纤维；界面性能；分子动力学模拟

ABSTRACT The interfacial properties between carbon fiber and resin directly affect the mechanical properties of composites. In order to efficiently select the most effective modification methods of carbon fiber， this paper constructs the carbon fiber interface model with different reaction groups and different grafting rates， and predicts the interfacial interaction energy between carbon fiber and resin through molecular dynamics simulation. The results show that electron pushing groups are more suitable for modifying carbon fibers than electron withdrawing groups.

KEYWORDS phthalonitrile; modified carbon fiber; interface performance; molecular dynamics simulation

1 引言

碳纤维复合材料以其轻质高强的性能被广泛应用于航空航天及民用领域。（剩余4923字）

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